(E)-but-2-enedioic acid; 2-[2-(tert-butylamino)ethylamino]-N-cyclohexyl-2-phenyl-ethanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-(tert-butylamino)ethylamino]-N-cyclohexyl-2-phenyl-ethanamide Openeye Name: 2-[2-(tert-butylamino)ethylamino]-N-cyclohexyl-2-phenyl-acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[2-(tert-butylamino)ethylamino]-N-cyclohexyl-2-phenylacetamide IUPAC Name: (E)-but-2-enedioic acid; 2-[2-(tert-butylamino)ethylamino]-N-cyclohexyl-2-phenylacetamide Traditional Name: 2-[2-(tert-butylamino)ethylamino]-N-cyclohexyl-2-phenyl-acetamide; fumaric acid Formula: C24H37N3O5 MolecularWeight: 447.56768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCNC(C1=CC=CC=C1)C(=O)NC2CCCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)NCCNC(C1=CC=CC=C1)C(=O)NC2CCCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H33N3O.C4H4O4/c1-20(2,3)22-15-14-21-18(16-10-6-4-7-11-16)19(24)23-17-12-8-5-9-13-17;5-3(6)1-2-4(7)8/h4,6-7,10-11,17-18,21-22H,5,8-9,12-15H2,1-3H3,(H,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1+